Syringyl Alcohol Diacetate (C13 H16 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 268.26254
This is of the category: Monomers
Concentration: 70 mg/ml (Source: Jamie Milhaupt)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.47 | 4 |
| C2 | AcMe | 21.05 | 4 |
| C3 | OMe | 56.21 | 1 |
| C4 | OMe | 56.21 | 1 |
| C7 | A | 66.37 | 1 |
| C5 | 2 | 105.13 | 1 |
| C6 | 6 | 105.13 | 1 |
| C13 | 4 | 128.58 | 1 |
| C10 | 1 | 134.42 | 1 |
| C11 | 3 | 152.21 | 1 |
| C12 | 5 | 152.21 | 1 |
| C9 | 4AcC=O | 168.67 | 1 |
| C8 | AAcC=O | 170.77 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 4 |
| C2 | AcMe | 20.79 | 4 |
| C3 | OMe | 56.46 | 1 |
| C4 | OMe | 56.46 | 1 |
| C7 | A | 66.46 | 1 |
| C5 | 2 | 105.67 | 1 |
| C6 | 6 | 105.67 | 1 |
| C13 | 4 | 129.43 | 1 |
| C10 | 1 | 135.77 | 1 |
| C11 | 3 | 153.19 | 1 |
| C12 | 5 | 153.19 | 1 |
| C9 | 4AcC=O | 168.50 | 1 |
| C8 | AAcC=O | 170.80 | 1 |
| H20 | AcMe | 2.06 | 4 |
| H21 | AcMe | 2.06 | 4 |
| H22 | AcMe | 2.06 | 4 |
| H24 | AcMe | 2.22 | 4 |
| H23 | AcMe | 2.22 | 4 |
| H25 | AcMe | 2.22 | 4 |
| H28 | OMe | 3.80 | 1 |
| H27 | OMe | 3.80 | 1 |
| H26 | OMe | 3.80 | 1 |
| H30 | OMe | 3.80 | 1 |
| H29 | OMe | 3.80 | 1 |
| H31 | OMe | 3.80 | 1 |
| H34 | A | 5.05 | 1 |
| H35 | A | 5.05 | 1 |
| H32 | 2 | 6.76 | 1 |
| H33 | 6 | 6.76 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.05 | 4 |
| C2 | AcMe | 20.63 | 4 |
| C3 | OMe | 55.91 | 1 |
| C4 | OMe | 55.91 | 1 |
| C7 | A | 65.45 | 1 |
| C5 | 2 | 104.84 | 1 |
| C6 | 6 | 401.84 | 1 |
| C13 | 4 | 127.57 | 1 |
| C10 | 1 | 134.49 | 1 |
| C11 | 3 | 151.59 | 1 |
| C12 | 5 | 151.59 | 1 |
| C9 | 4AcC=O | 167.97 | 1 |
| C8 | AAcC=O | 170.14 | 1 |